SCHEMBL9837566

SCHEMBL9837566

CN1CCN(C)C2SC(=C3C(=O)CC(c4cccs4)CC3=O)SC21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
POLB P06746 3/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 7/20 0.40
MAP1LC3B Q9GZQ8 5/20 0.40
TSHR P16473 2/20 0.38
HTT P42858 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HSD17B10 Q99714 4/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 5/20 0.36
LMNA P02545 3/20 0.36
AGTR1 P30556 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CASP1 P29466 3/20 0.35
CASP7 P55210 2/20 0.35
USP2 O75604 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9837630 0.81 MEN1 (0.47) GAAMAPTALDH1A1MAP1LC3BTSHR
SCHEMBL9837769 0.75 MAPT (0.46) GAAPOLBMAPTALDH1A1MAP1LC3B
SCHEMBL9834910 0.74 KMT2A (0.43) GAAMAPTALDH1A1MAP1LC3BTSHR
SCHEMBL9835656 0.69 ALDH1A1 (0.42) ALDH1A1
SCHEMBL21795277 0.68 POLB (0.50) GAAPOLBMAPTALDH1A1MAP1LC3B
SCHEMBL2656962 0.66 MAPT (0.55) GAAPOLBMAPTALDH1A1TSHR
SCHEMBL9836885 0.66 GRM2 (0.42) ALDH1A1MAP1LC3BKMT2ALMNAHPGD
SCHEMBL22111733 0.65 POLB (0.54) GAAPOLBMAPTALDH1A1MAP1LC3B
SCHEMBL1781059 0.65 MAP1LC3B (0.59) GAAPOLBMAPTALDH1A1MAP1LC3B
SCHEMBL1781122 0.65 MAPT (0.57) GAAPOLBMAPTALDH1A1MAP1LC3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0261674-B1 A CYCLOHEXANEDIONE DERIVATIVE AND A PROCESS FOR PRODUCING THE SAME NIHON NOHYAKU CO., LTD. (JP) 1991-06-12 EP disclosed
US-4863925-A SUBSTITUTED NIHON NOHYAKU CO., LTD. (JP) 1989-09-05 US disclosed
EP-0261674-A1 A cyclohexanedione derivative and a process for producing the same NIHON NOHYAKU CO., LTD. (JP) 1988-03-30 EP disclosed